(4-trimethylsilylphenoxy)boronic acid

C9H15BO3Si — CID 142771176

IUPAC(4-trimethylsilylphenoxy)boronic acid
SMILESC[Si](C)(C)c1ccc(OB(O)O)cc1
InChIInChI=1S/C9H15BO3Si/c1-14(2,3)9-6-4-8(5-7-9)13-10(11)12/h4-7,11-12H,1-3H3
InChIKeyUGFRRZOTHYGKNK-UHFFFAOYSA-N
MW210.11 g/mol
LogP0.58
Rot. Bonds3

About (4-trimethylsilylphenoxy)boronic acid

(4-trimethylsilylphenoxy)boronic acid (PubChem CID 142771176) has the molecular formula C9H15BO3Si and a molecular weight of 210.11 g/mol. Its IUPAC name is (4-trimethylsilylphenoxy)boronic acid.

Molecular Properties

Compound Name(4-trimethylsilylphenoxy)boronic acid
PubChem CID142771176
Molecular FormulaC9H15BO3Si
Molecular Weight210.11 g/mol
Exact Mass210.09
IUPAC Name(4-trimethylsilylphenoxy)boronic acid
SMILESC[Si](C)(C)c1ccc(OB(O)O)cc1
InChIInChI=1S/C9H15BO3Si/c1-14(2,3)9-6-4-8(5-7-9)13-10(11)12/h4-7,11-12H,1-3H3
InChIKeyUGFRRZOTHYGKNK-UHFFFAOYSA-N
XLogP0.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-trimethylsilylphenoxy)boronic acid?
The IUPAC name of (4-trimethylsilylphenoxy)boronic acid (CID 142771176) is (4-trimethylsilylphenoxy)boronic acid.
What is the SMILES notation for (4-trimethylsilylphenoxy)boronic acid?
The canonical SMILES for (4-trimethylsilylphenoxy)boronic acid is C[Si](C)(C)c1ccc(OB(O)O)cc1.
What is the InChIKey of (4-trimethylsilylphenoxy)boronic acid?
The InChIKey is UGFRRZOTHYGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BO3Si/c1-14(2,3)9-6-4-8(5-7-9)13-10(11)12/h4-7,11-12H,1-3H3.
What are the key properties of (4-trimethylsilylphenoxy)boronic acid?
(4-trimethylsilylphenoxy)boronic acid has a molecular weight of 210.11 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-trimethylsilylphenoxy)boronic acid is sourced from PubChem (CID 142771176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).